CID 135964530

(2e,5z)-5-(5-methyl-2-oxo-indolin-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one

Structural Information

Molecular Formula
C20H13N5O3S
SMILES
CC1=CC2=C(C(=O)N=C2C=C1)C3=C(N=C(S3)NC4=NN=C(O4)C5=CC=CC=C5)O
InChI
InChI=1S/C20H13N5O3S/c1-10-7-8-13-12(9-10)14(16(26)21-13)15-17(27)22-20(29-15)23-19-25-24-18(28-19)11-5-3-2-4-6-11/h2-9,27H,1H3,(H,22,23,25)
InChIKey
ZSHUXKJUMUONBB-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.0739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08118 190.0
[M+Na]+ 426.06312 204.5
[M-H]- 402.06662 202.6
[M+NH4]+ 421.10772 201.1
[M+K]+ 442.03706 199.0
[M+H-H2O]+ 386.07116 183.1
[M+HCOO]- 448.07210 209.9
[M+CH3COO]- 462.08775 202.3
[M+Na-2H]- 424.04857 189.2
[M]+ 403.07335 199.2
[M]- 403.07445 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.